[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C22H25NO4/c1-13(19(24)17-11-23-18-5-3-2-4-16(17)18)27-20(25)21-7-14-6-15(8-21)10-22(26,9-14)12-21/h2-5,11,13-15,23,26H,6-10,12H2,1H3